Molecule FYI-1003152

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A

Molecule Summary:

ID: FYI-1003152
Names:
InChIKey: CIWBSHSKHKDKBQ-UHFFFAOYSA-N
SMILES: O=C1OC(C(O)CO)C(O)=C1O

Received at FYIcenter.com on: 2023-05-16

Molecule ID: FYI-1003152 Edit

Molecule Structure InChIKey: CIWBSHSKHKDKBQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1OC(C(O)CO)C(O)=C1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003152
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162    1.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7225    5.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    3.4923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    2.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2073    0.1611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003152-3D
FYIcenter.com

 20 20  0     1  0  0  0  0  0999 V2000
   -0.2250    1.1706   -0.5906 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2596   -1.4482   -0.0959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7093   -2.3568   -0.1043 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6802    0.8014    0.6892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0467   -0.6779    0.6623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2168    2.0990    0.1072 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3153   -0.1644   -0.6658 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5724   -0.2299    0.1868 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7953   -0.9971   -0.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5127    0.9304   -0.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8496   -0.2621    0.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4975    1.1349   -0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5237   -0.3952   -1.7171 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3388   -0.2296    1.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8308    0.9175   -1.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0544    1.8975    0.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009   -1.4466   -1.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5540   -2.6916    0.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2611    1.5500    0.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5938    0.1153    0.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4 10  1  0  0  0  0
  4 19  1  0  0  0  0
  5 11  1  0  0  0  0
  5 20  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$

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2023-06-12, 764👍, 0💬